Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL171316
Molecular formulaC23H28N4S
IUPAC name4-[4-[4-(4-phenylpiperazin-1-yl)butyl]phenyl]-1,3-thiazol-2-amine
Molecular weight392.565
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.9
Synonyms4-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-phenyl}-thiazol-2-ylamine
BDBM50088844
Inchi KeyAABXSESJRGKXGN-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28N4S/c24-23-25-22(18-28-23)20-11-9-19(10-12-20)6-4-5-13-26-14-16-27(17-15-26)21-7-2-1-3-8-21/h1-3,7-12,18H,4-6,13-17H2,(H2,24,25)
PubChem CID14211445
ChEMBLCHEMBL171316
IUPHARN/A
BindingDB50088844
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
415-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
42D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218